3-(acetyloxymethyl)-7-[2-(dimethylcarbamothioylsulfanyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[2-(dimethylcarbamothioylsulfanyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[[dimethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[2-(dimethylthiocarbamoylthio)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H19N3O6S3 MolecularWeight: 433.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC(=S)N(C)C)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC(=S)N(C)C)SC1)C(=O)O

InChI

InChI=1S/C15H19N3O6S3/c1-7(19)24-4-8-5-26-13-10(12(21)18(13)11(8)14(22)23)16-9(20)6-27-15(25)17(2)3/h10,13H,4-6H2,1-3H3,(H,16,20)(H,22,23)